| CAS Number | 1159734-52-7 |
| Catalog Number | AG000H8W(AGN-PC-0WCKUI) |
| Chemical Name | Cyclopropanecarboxylic acid, 1-(2-pyrazinyl)- |
| IUPAC Name | 1-pyrazin-2-ylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C8H8N2O2/c11-7(12)8(1-2-8)6-5-9-3-4-10-6/h3-5H,1-2H2,(H,11,12) |
| InChI Key | SEUCPZSOHHNMRQ-UHFFFAOYSA-N |
| MDL Number | MFCD17926215 |
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.1613 |
| SMILES | O=C(C1(C2=NC=CN=C2)CC1)O |
| Synonyms | 1-(PYRAZIN-2-YL)CYCLOPROPANECARBOXYLIC ACID,
1159734-52-7,
1-(PYRAZIN-2-YL)CYCLOPROPANE-1-CARBOXYLIC ACID,
Cyclopropanecarboxylic acid, 1-(2-pyrazinyl)-,
SCHEMBL2143498,
DTXSID40729243,
SEUCPZSOHHNMRQ-UHFFFAOYSA-N,
MFCD17926215,
ZINC66054561,
AKOS022906545,
PB12900,
KS-0000076F,
AS-35490,
1-Pyrazin-2-yl-cyclopropanecarboxylic acid,
AB0073264,
CS-0052803,
FT-0705953,
Q-3039,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.164g/mol |
| Monoisotopic Mass | 164.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
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